![2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/844/844829-59-0.png)
2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 844829-59-0) is a chemical compound with molecular formula C22H28N4OS2 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylsulfanyl-12-ethyl-12-methyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-(butylthio)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C22H28N4OS2 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.832 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.17044 |
| Heavy Atoms | 29 |
| Complexity | 975.8528 |
Chemical Identifiers
| CAS Number | 844829-59-0 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)CC)SC2=N1)NCC4=CC=CC=N4 |
Product Overview
2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 844829-59-0), with molecular formula C22H28N4OS2 and molecular weight 428.17 g/mol. IUPAC: 5-butylsulfanyl-12-ethyl-12-methyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 5.832 indicates that 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 844829-59-0.
What is the molecular formula of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C22H28N4OS2.
What is the molecular weight of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 428.17 g/mol.
Where can I buy 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfanyl)-6-ethyl-6-methyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.